Geometry & MOs

Info

ID:	151083
PubChem CID:	53790781
Reduced:	S3N4O5C35H40 (1)
Stoich.:	A3B4C5D35E40 (1)
Weight, g/mol:	383.086115
ΔH_f, kcal/mol:	-117.41
Dipole, Da:	2.7
IP(EA), eV:	-8.41(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[2-(5-ethoxycarbonyl-3-methylthiophen-2-yl)ethyl]-5-methoxy-2H-1,4-thiazine-6-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)NCC4CCCC4)C(=O)CS(=O)C5=CC=CC=C5)SC

DOS

IR

Vibrations